⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18557984 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL10793302 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL1467520 | 0.77 | — | — | |
| SCHEMBL10793306 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL8347908 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL2616616 | 0.75 | — | — | |
| SCHEMBL8347909 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL8050360 | 0.75 | — | — | |
| SCHEMBL1805621 | 0.75 | GLO1 (0.47) | — | |
| SCHEMBL15382636 | 0.75 | ALDH1A1 (0.36) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101230176-B | Poly(vinyl alcohol) composition comprising polyol | DU PONT | 2012-09-05 | — | — | CN | claimed |
| US-20080182937-A1 | Poly(vinyl alcohol) composition comprising polyol | KURARAY CO., LTD. (JP) | 2008-07-31 | — | — | US | claimed |
| EP-1694918-B1 | TERPOLYMERS FOR USE IN PAPER COATINGS | DU PONT (US) | 2011-01-26 | — | — | EP | disclosed |